UCSF

ZINC20394262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 2.03 -51.82 3 4 1 47 263.39 3
Lo Low (pH 4.5-6) 1.29 4.37 -129.78 4 4 2 48 264.398 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )